Crystallographic Information Framework

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Index

Macromolecular dictionary (mmCIF) version 2.0.09

_refine.ls_weighting_details

Name:
'_refine.ls_weighting_details'

Definition:

   A description of special aspects of the weighting scheme used
   in least-squares refinement. Used to describe the weighting
   when the value of _refine.ls_weighting_scheme is specified
   as 'calc'.

Example:

;                                 Sigdel model of Konnert-Hendrickson:
                                  Sigdel =
                                  Afsig +  Bfsig*(sin(theta)/lambda-1/6)
                                  Afsig = 22.0, Bfsig = 150.0
                                    at the beginning of refinement.
                                  Afsig = 16.0, Bfsig =  60.0
                                    at the end of refinement.
;

Type: text

Mandatory item: no

Alias:
_refine_ls_weighting_details (cif_core.dic version 2.0.1)

Category: refine


International Tables for Crystallography

Volume G: Definition and exchange of crystallographic data

First online edition (2006)

Edited by S. R. Hall and B. McMahon

An essential guide and reference to CIF for programmers, data managers handling crystal-structure information and practising crystallographers.